{[(2-cyclobutyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-4,1-phenylene} bis(4-methyl-3-nitrobenzene-1-sulfonate)
Chemical Structure Depiction of
{[(2-cyclobutyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-4,1-phenylene} bis(4-methyl-3-nitrobenzene-1-sulfonate)
{[(2-cyclobutyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-4,1-phenylene} bis(4-methyl-3-nitrobenzene-1-sulfonate)
Compound characteristics
| Compound ID: | 8001-0475 |
| Compound Name: | {[(2-cyclobutyl-1,3-dioxopropane-1,3-diyl)bis(hydrazin-2-yl-1-ylidene)methanylylidene]-4,1-phenylene} bis(4-methyl-3-nitrobenzene-1-sulfonate) |
| Molecular Weight: | 792.8 |
| Molecular Formula: | C35 H32 N6 O12 S2 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Oc1ccc(/C=N/NC(C(C2CCC2)C(N/N=C/c2ccc(cc2)OS(c2ccc(C)c(c2)[N+]([O-])=O)(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0137 |
| logD: | 6.0128 |
| logSw: | -5.4764 |
| Hydrogen bond acceptors count: | 24 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 209.077 |
| InChI Key: | MFSVOOZYWMFEJI-UHFFFAOYSA-N |